1-(5-Benzylsulfanyl-1,3,4-thiadiazol-2-yl)-4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-2-(3-nitrophenyl)-2H-pyrrol-5-one
[CAS# 7050-44-4]

Identification

• Name: 1-(5-Benzylsulfanyl-1,3,4-thiadiazol-2-yl)-4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-2-(3-nitrophenyl)-2H-pyrrol-5-one
• Synonyms: 3-Hydroxy-4-(7-Methoxybenzofuran-2-Carbonyl)-5-(3-Nitrophenyl)-1-[5-(Phenylmethylsulfanyl)-1,3,4-Thiadiazol-2-Yl]-5H-Pyrrol-2-One; 3-Hydroxy-4-[(7-Methoxy-2-Benzofuranyl)-Oxomethyl]-5-(3-Nitrophenyl)-1-[5-(Phenylmethylthio)-1,3,4-Thiadiazol-2-Yl]-5H-Pyrrol-2-One; 1-[5-(Benzylthio)-1,3,4-Thiadiazol-2-Yl]-3-Hydroxy-4-(7-Methoxybenzofuran-2-Carbonyl)-5-(3-Nitrophenyl)-3-Pyrrolin-2-One
• Molecular Formula: C₂₉H₂₀N₄O₇S₂
• Molecular Weight: 600.62
• CAS Registry Number: 7050-44-4
• SMILES: C1=CC=C2C(=C1OC)OC(=C2)C(=O)C3=C(C(=O)N(C3C4=CC(=CC=C4)[N+](=O)[O-])C5=NN=C(S5)SCC6=CC=CC=C6)O
• InChI: 1S/C29H20N4O7S2/c1-39-20-12-6-10-18-14-21(40-26(18)20)24(34)22-23(17-9-5-11-19(13-17)33(37)38)32(27(36)25(22)35)28-30-31-29(42-28)41-15-16-7-3-2-4-8-16/h2-14,23,35H,15H2,1H3
• InChIKey: CNBNNQGGUDPLML-UHFFFAOYSA-N

Properties

• Density: 1.599g/cm³ (Cal.)
• Boiling point: 778.459°C at 760 mmHg (Cal.)
• Flash point: 424.597°C (Cal.)